N-butylbutan-1-amine;1-methyl-1,2,4-triazole

C11H24N4 — CID 130421557

IUPACN-butylbutan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCNCCCC.Cn1cncn1
InChIInChI=1S/C8H19N.C3H5N3/c1-3-5-7-9-8-6-4-2;1-6-3-4-2-5-6/h9H,3-8H2,1-2H3;2-3H,1H3
InChIKeyZADKXPOUPISUIV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.99
Rot. Bonds6

About N-butylbutan-1-amine;1-methyl-1,2,4-triazole

N-butylbutan-1-amine;1-methyl-1,2,4-triazole (PubChem CID 130421557) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N-butylbutan-1-amine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound NameN-butylbutan-1-amine;1-methyl-1,2,4-triazole
PubChem CID130421557
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN-butylbutan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCNCCCC.Cn1cncn1
InChIInChI=1S/C8H19N.C3H5N3/c1-3-5-7-9-8-6-4-2;1-6-3-4-2-5-6/h9H,3-8H2,1-2H3;2-3H,1H3
InChIKeyZADKXPOUPISUIV-UHFFFAOYSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;1-methyl-1,2,4-triazole?
The IUPAC name of N-butylbutan-1-amine;1-methyl-1,2,4-triazole (CID 130421557) is N-butylbutan-1-amine;1-methyl-1,2,4-triazole.
What is the SMILES notation for N-butylbutan-1-amine;1-methyl-1,2,4-triazole?
The canonical SMILES for N-butylbutan-1-amine;1-methyl-1,2,4-triazole is CCCCNCCCC.Cn1cncn1.
What is the InChIKey of N-butylbutan-1-amine;1-methyl-1,2,4-triazole?
The InChIKey is ZADKXPOUPISUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H5N3/c1-3-5-7-9-8-6-4-2;1-6-3-4-2-5-6/h9H,3-8H2,1-2H3;2-3H,1H3.
What are the key properties of N-butylbutan-1-amine;1-methyl-1,2,4-triazole?
N-butylbutan-1-amine;1-methyl-1,2,4-triazole has a molecular weight of 212.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 130421557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).